UCSF

ZINC34655001

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.56 3.14 -52.71 1 13 -1 175 409.331 8
Lo Low (pH 4.5-6) -1.02 5.16 -21.55 2 13 0 172 410.339 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )